Crystallography Open Database

Information card for entry 7062148

Preview

Coordinates	7062148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 I N4
Calculated formula	C26 H21 I N4
SMILES	[I-].n1n(cc(Cn2c3c(cccc3)c3ccccc23)[n+]1C)c1c2ccccc2ccc1
Title of publication	Thermally stable carbazole tagged Au(i)–mesoionic N-heterocyclic carbene complexes with diverse gold–hydrogen bonds
Authors of publication	Kalaivanan, Subramaniyam; Moulali, Vaddamanu; Siddhant, Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	1
Pages of publication	491 - 499
a	7.2137 ± 0.0003 Å
b	27.0679 ± 0.001 Å
c	22.9078 ± 0.0007 Å
α	90°
β	90.19 ± 0.003°
γ	90°
Cell volume	4472.9 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.0221
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281499 (current)	2023-03-04	cif/ Updating files of 7062146, 7062147, 7062148 Original log message: Adding full bibliography for 7062146--7062148.cif.	7062148.cif
279798	2022-12-08	cif/ Adding structures of 7062146, 7062147, 7062148 via cif-deposit CGI script.	7062148.cif